N-methyl-2-[(3R)-3-(trifluoromethyl)morpholin-4-yl]propan-2-amine

C9H17F3N2O — CID 163562855

IUPACN-methyl-2-[(3R)-3-(trifluoromethyl)morpholin-4-yl]propan-2-amine
SMILESCNC(C)(C)N1CCOC[C@@H]1C(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-8(2,13-3)14-4-5-15-6-7(14)9(10,11)12/h7,13H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyFSSRETXXONFRLN-SSDOTTSWSA-N
MW226.24 g/mol
LogP1.21
Rot. Bonds2

About N-methyl-2-[(3R)-3-(trifluoromethyl)morpholin-4-yl]propan-2-amine

N-methyl-2-[(3R)-3-(trifluoromethyl)morpholin-4-yl]propan-2-amine (PubChem CID 163562855) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is N-methyl-2-[(3R)-3-(trifluoromethyl)morpholin-4-yl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-2-[(3R)-3-(trifluoromethyl)morpholin-4-yl]propan-2-amine
PubChem CID163562855
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC NameN-methyl-2-[(3R)-3-(trifluoromethyl)morpholin-4-yl]propan-2-amine
SMILESCNC(C)(C)N1CCOC[C@@H]1C(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-8(2,13-3)14-4-5-15-6-7(14)9(10,11)12/h7,13H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyFSSRETXXONFRLN-SSDOTTSWSA-N
XLogP1.21
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(3R)-3-(trifluoromethyl)morpholin-4-yl]propan-2-amine?
The IUPAC name of N-methyl-2-[(3R)-3-(trifluoromethyl)morpholin-4-yl]propan-2-amine (CID 163562855) is N-methyl-2-[(3R)-3-(trifluoromethyl)morpholin-4-yl]propan-2-amine.
What is the SMILES notation for N-methyl-2-[(3R)-3-(trifluoromethyl)morpholin-4-yl]propan-2-amine?
The canonical SMILES for N-methyl-2-[(3R)-3-(trifluoromethyl)morpholin-4-yl]propan-2-amine is CNC(C)(C)N1CCOC[C@@H]1C(F)(F)F.
What is the InChIKey of N-methyl-2-[(3R)-3-(trifluoromethyl)morpholin-4-yl]propan-2-amine?
The InChIKey is FSSRETXXONFRLN-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-8(2,13-3)14-4-5-15-6-7(14)9(10,11)12/h7,13H,4-6H2,1-3H3/t7-/m1/s1.
What are the key properties of N-methyl-2-[(3R)-3-(trifluoromethyl)morpholin-4-yl]propan-2-amine?
N-methyl-2-[(3R)-3-(trifluoromethyl)morpholin-4-yl]propan-2-amine has a molecular weight of 226.24 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(3R)-3-(trifluoromethyl)morpholin-4-yl]propan-2-amine is sourced from PubChem (CID 163562855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).